[(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate

Systemtic Name: [(2S)-1-(aminocarbonylamino)-3-methyl-1-oxidanylidene-butan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Openeye Name: [(1S)-1-allophanoyl-2-methyl-propyl] 3-pyrrol-1-ylthiophene-2-carboxylate CAS Name: 3-(1-pyrrolyl)-2-thiophenecarboxylic acid [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] ester IUPAC Name: [(2S)-1-(carbamoylamino)-3-methyl-1-oxobutan-2-yl] 3-pyrrol-1-ylthiophene-2-carboxylate Traditional Name: 3-pyrrol-1-ylthiophene-2-carboxylic acid [(1S)-1-allophanoyl-2-methyl-propyl] ester Formula: C15H17N3O4S MolecularWeight: 335.37818

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC(=O)N)OC(=O)C1=C(C=CS1)N2C=CC=C2

Isomeric SMILES

CC(C)[C@@H](C(=O)NC(=O)N)OC(=O)C1=C(C=CS1)N2C=CC=C2

InChI

InChI=1S/C15H17N3O4S/c1-9(2)11(13(19)17-15(16)21)22-14(20)12-10(5-8-23-12)18-6-3-4-7-18/h3-9,11H,1-2H3,(H3,16,17,19,21)/t11-/m0/s1